phenyl 5-ethoxy-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 5-ethoxy-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 5-ethoxy-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 5-ethoxy-2-[3-(2-hydroxyphenyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-ethoxy-2-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 5-ethoxy-2-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S/c1-2-30-19-12-13-22(24(16-19)32(28,29)31-18-8-4-3-5-9-18)26-15-14-25-21(17-26)20-10-6-7-11-23(20)27/h3-13,16,21,25,27H,2,14-15,17H2,1H3